CID 71758280

1-[(benzyloxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H14FNO4
SMILES
C1CN(CC1(C(=O)O)F)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14FNO4/c14-13(11(16)17)6-7-15(9-13)12(18)19-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)
InChIKey
ASWSLWVUHJVOIR-UHFFFAOYSA-N
Compound name
3-fluoro-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.0907 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09798 158.1
[M+Na]+ 290.07992 164.3
[M-H]- 266.08342 160.6
[M+NH4]+ 285.12452 175.7
[M+K]+ 306.05386 162.1
[M+H-H2O]+ 250.08796 150.5
[M+HCOO]- 312.08890 176.1
[M+CH3COO]- 326.10455 190.0
[M+Na-2H]- 288.06537 159.4
[M]+ 267.09015 155.9
[M]- 267.09125 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe